(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one

C7H12N2O — CID 51000267

IUPAC(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@H]2CC[C@@H](CN1)N2
InChIInChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6+/m1/s1
InChIKeyOJDDWFBNQVXOPZ-RITPCOANSA-N
MW140.19 g/mol
LogP-0.37
Rot. Bonds

About (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one

(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 51000267) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID51000267
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@H]2CC[C@@H](CN1)N2
InChIInChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6+/m1/s1
InChIKeyOJDDWFBNQVXOPZ-RITPCOANSA-N
XLogP-0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 51000267) is (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one is O=C1C[C@H]2CC[C@@H](CN1)N2.
What is the InChIKey of (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is OJDDWFBNQVXOPZ-RITPCOANSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-3-5-1-2-6(9-5)4-8-7/h5-6,9H,1-4H2,(H,8,10)/t5-,6+/m1/s1.
What are the key properties of (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 140.19 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 51000267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).